1-Acetylnaphthalene
Properties
- Molecular formula
- C12H10O
- Molar mass
- 170.21 g/mol
- Exact mass
- 170.0732 Da
- Density
- 1.1251 g/mL (at 20 °C)
- Melting point
- 34 °C
- Boiling point
- 297 °C
- logP
- 3.04Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H315 Causes skin irritation23.5% of notifiers
- H317 May cause an allergic skin reaction69% of notifiers
- H319 Causes serious eye irritation12.5% of notifiers
- H335 May cause respiratory irritation11.9% of notifiers
- H412 Harmful to aquatic life with long lasting effects85.1% of notifiers
Aggregated from 336 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
941-98-0SMILES
CC(=O)c1cccc2ccccc12InChIKey
QQLIGMASAVJVON-UHFFFAOYSA-NInChI
InChI=1S/C12H10O/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-8H,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
15 names · show all
- Ethanone, 1-(1-naphthalenyl)-
- NSC 7659
- 1-(Naphthalen-4-yl)ethanone
- 1-(Naphthalen-1-yl)ethan-1-one
- 1′-Acetonaphthone
- 1-(1-Naphthalenyl)ethanone
- α-Acetonaphthone
- Methyl 1-naphthyl ketone
- 1-Acetonaphthone
- Methyl α-naphthyl ketone
- 1-Acetonaphthalene
- 1-Naphthyl methyl ketone
- α-Acetylnaphthalene
- α-Naphthyl methyl ketone
- 1-(1-Naphthyl)ethanone
Work with 1-Acetylnaphthalene
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
1,2-Diacetylbenzene704-00-764 % similar
9-Acetylphenanthrene2039-77-261 % similar
1-Acetylpyrene3264-21-959 % similar
2′-Chloroacetophenone2142-68-957 % similar
9-Acetylanthracene784-04-355 % similar
1-Naphthoic acid86-55-555 % similar
1-Naphthoyl chloride879-18-555 % similar
4-Acetyl-1-naphthalenecarboxylic acid131986-05-555 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.